2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide

C19H19N5O3 — CID 1267811

IUPAC2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC
InChIInChI=1S/C19H19N5O3/c1-3-26-17-9-13(11-20)15(10-18(17)27-4-2)21-19(25)12-24-16-8-6-5-7-14(16)22-23-24/h5-10H,3-4,12H2,1-2H3,(H,21,25)
InChIKeyNEMDVKNCMOPRKJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.74
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide

2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide (PubChem CID 1267811) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide
PubChem CID1267811
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC
InChIInChI=1S/C19H19N5O3/c1-3-26-17-9-13(11-20)15(10-18(17)27-4-2)21-19(25)12-24-16-8-6-5-7-14(16)22-23-24/h5-10H,3-4,12H2,1-2H3,(H,21,25)
InChIKeyNEMDVKNCMOPRKJ-UHFFFAOYSA-N
XLogP2.74
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 645380
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 653925
(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N'-(3,4-dimethoxybenzylidene)acetohydrazide
CID 9557232
2-(benzotriazol-1-yl)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6043623
(2S)-2-(benzotriazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 27403354
N-1,3-benzodioxol-5-yl-N~2~-(1H-benzotriazol-1-ylacetyl)-N~2~-(4-fluorobenzyl)glycinamide
CID 1489690
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(benzotriazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 1500741
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butyl-2-(2-fluorophenyl)acetamide
CID 3195441
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196153
2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196296
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]propanamide
CID 3229051
2-(benzotriazol-1-yl)-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 8978606

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide (CID 1267811) is 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide is CCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide?
The InChIKey is NEMDVKNCMOPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-26-17-9-13(11-20)15(10-18(17)27-4-2)21-19(25)12-24-16-8-6-5-7-14(16)22-23-24/h5-10H,3-4,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 1267811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).